Information card for entry 7234007

Structure parameters

• Formula: C44 H38 I2 N8
• Calculated formula: C46 H38 I2 N8
• Title of publication: Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning
• Authors of publication: Marco Saccone; Valentina Dichiarante; Alessandra Forni; Alexis Goulet-Hanssens; Gabriella Cavallo; Jaana Vapaavuori; Giancarlo Terraneo; Christopher J. Barrett; Giuseppe Resnati; Pierangelo Metrangolo; Arri Priimagi
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 759 - 768
• a: 17.6158 ± 0.0015 Å
• b: 7.4356 ± 0.0008 Å
• c: 14.8281 ± 0.0015 Å
• α: 90°
• β: 98.184 ± 0.003°
• γ: 90°
• Cell volume: 1922.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No